UCSF

ZINC55638605

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2010 21 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.85 7.21 -35.7 2 4 0 54 302.399 5
Mid Mid (pH 6-8) 3.57 6.94 -60.41 1 4 -1 51 301.391 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )